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Fixed the unit test, similar to commit d1da5276dae4a21a4c45d9fa41816b…
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the compound is aromatic.

Change-Id: Ibb532e717dd3ad2b785689bb279d5085c620a1b8
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egonw committed Oct 7, 2012
1 parent 96382dc commit 44d405d
Showing 1 changed file with 1 addition and 1 deletion.
Expand Up @@ -827,7 +827,7 @@ public void testAromaticNOxideCharged() throws Exception {
SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
IAtomContainer mol = sp.parseSmiles("[O-][n+]1ccccc1");
AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
Assert.assertFalse(CDKHueckelAromaticityDetector.detectAromaticity(mol));
Assert.assertTrue(CDKHueckelAromaticityDetector.detectAromaticity(mol));
for (IAtom atom : mol.atoms()) {
if (atom.getSymbol().equals("O")) continue;
Assert.assertTrue(atom.getSymbol() + " was not aromatic but should have been", atom.getFlag(CDKConstants.ISAROMATIC));
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